# generated using pymatgen
data_Li3BiS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.84450900
_cell_length_b   7.82022000
_cell_length_c   10.43582500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3BiS3
_chemical_formula_sum   'Li12 Bi4 S12'
_cell_volume   558.58344160
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.03999600  0.06745900  0.77114600  1
  Li  Li1  1  0.34245000  0.09415300  0.31620900  1
  Li  Li2  1  0.37664700  0.24779300  0.61964600  1
  Li  Li3  1  0.87664700  0.25220700  0.11964600  1
  Li  Li4  1  0.84245000  0.40584700  0.81620900  1
  Li  Li5  1  0.53999600  0.43254100  0.27114600  1
  Li  Li6  1  0.46000400  0.56745900  0.77114600  1
  Li  Li7  1  0.15755000  0.59415300  0.31620900  1
  Li  Li8  1  0.12335300  0.74779300  0.61964600  1
  Li  Li9  1  0.62335300  0.75220700  0.11964600  1
  Li  Li10  1  0.65755000  0.90584700  0.81620900  1
  Li  Li11  1  0.96000400  0.93254100  0.27114600  1
  Bi  Bi12  1  0.90077600  0.28305300  0.49656800  1
  Bi  Bi13  1  0.40077600  0.21694700  0.99656800  1
  Bi  Bi14  1  0.59922400  0.78305300  0.49656800  1
  Bi  Bi15  1  0.09922400  0.71694700  0.99656800  1
  S  S16  1  0.15535200  0.03750700  0.50948700  1
  S  S17  1  0.69571700  0.14878600  0.31593000  1
  S  S18  1  0.70424100  0.17323300  0.69183800  1
  S  S19  1  0.20424100  0.32676700  0.19183800  1
  S  S20  1  0.19571700  0.35121400  0.81593000  1
  S  S21  1  0.65535200  0.46249300  0.00948700  1
  S  S22  1  0.34464800  0.53750700  0.50948700  1
  S  S23  1  0.80428300  0.64878600  0.31593000  1
  S  S24  1  0.79575900  0.67323300  0.69183800  1
  S  S25  1  0.29575900  0.82676700  0.19183800  1
  S  S26  1  0.30428300  0.85121400  0.81593000  1
  S  S27  1  0.84464800  0.96249300  0.00948700  1
